4HFX
| Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. | 分子名称: | SULFATE ION, Transcription elongation factor B polypeptide 3 | 著者 | Seetharaman, J, Su, M, Ciccosanti, C, Sahdev, S, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2012-10-05 | 公開日 | 2012-12-12 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. (CASP Target) TO BE PUBLISHED
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2YKN
| Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | 分子名称: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | 著者 | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | 登録日 | 2011-05-28 | 公開日 | 2011-08-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
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2YKM
| Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | 分子名称: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | 著者 | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | 登録日 | 2011-05-28 | 公開日 | 2011-08-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
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6Y1D
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6Y1J
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6YQ2
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6YOW
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8A62
| Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 | 分子名称: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | 登録日 | 2022-06-16 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A6H
| Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 | 分子名称: | 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ... | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | 登録日 | 2022-06-17 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A65
| Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | 分子名称: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | 登録日 | 2022-06-16 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A68
| Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 | 分子名称: | 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ... | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | 登録日 | 2022-06-16 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A6F
| Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | 分子名称: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | 登録日 | 2022-06-17 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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6YOS
| Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 pS617 peptide | 分子名称: | 14-3-3 protein zeta/delta, Glucocorticoid receptor,Glucocorticoid receptor | 著者 | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | 登録日 | 2020-04-15 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. J.Biol.Chem., 296, 2021
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6YR5
| 14-3-3 sigma in complex with hDMX-367 peptide | 分子名称: | 14-3-3 protein sigma, Protein Mdm4, SULFATE ION | 著者 | Wolter, M, Srdanovic, S, Ottman, C, Warriner, S, Wilson, A. | 登録日 | 2020-04-19 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study. Febs J., 2022
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6QHM
| 14-3-3 sigma with RelA/p65 binding site pS281 | 分子名称: | 14-3-3 protein sigma, LEU-SEP-GLU | 著者 | Wolter, M, Ottmann, C. | 登録日 | 2019-01-16 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products. J.Am.Chem.Soc., 142, 2020
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8AFN
| Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 | 分子名称: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ... | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | 登録日 | 2022-07-18 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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6QZS
| 14-3-3 sigma in complex with FOXO1 pS256 peptide | 分子名称: | 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FOXO1 pS256 site, ... | 著者 | Ottmann, C, Wolter, M, Lau, R.A. | 登録日 | 2019-03-12 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins. J.Biol.Chem., 294, 2019
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8ANF
| Small molecule stabilizer for ERalpha and 14-3-3 (1074359) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-05 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AQC
| Small molecular stabilizer for ERalpha and 14-3-3 (1080294) | 分子名称: | 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-12 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8ARW
| Small molecular stabilizer for ERalpha and 14-3-3 (1076402) | 分子名称: | 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-17 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8ARY
| Small molecular stabilizer for ERalpha and 14-3-3 (1080273) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-17 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8ATS
| Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ... | 著者 | Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AR5
| Small molecular stabilizer for ERalpha and 14-3-3 (1080265) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-15 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AM7
| Small molecular stabilizer for ERalpha and 14-3-3 (1076397) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-02 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8ALT
| Small molecular stabilizer for ERalpha and 14-3-3 (1075311) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.V, Ottmann, C. | 登録日 | 2022-08-01 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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